(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea

C6H15N5O — CID 144894432

IUPAC(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea
SMILESCC(C)CN(N)/C(N)=N/C(N)=O
InChIInChI=1S/C6H15N5O/c1-4(2)3-11(9)5(7)10-6(8)12/h4H,3,9H2,1-2H3,(H4,7,8,10,12)
InChIKeyKKONXPUAYKQILM-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.79
Rot. Bonds2

About (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea

(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea (PubChem CID 144894432) has the molecular formula C6H15N5O and a molecular weight of 173.22 g/mol. Its IUPAC name is (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea.

Molecular Properties

Compound Name(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea
PubChem CID144894432
Molecular FormulaC6H15N5O
Molecular Weight173.22 g/mol
Exact Mass173.13
IUPAC Name(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea
SMILESCC(C)CN(N)/C(N)=N/C(N)=O
InChIInChI=1S/C6H15N5O/c1-4(2)3-11(9)5(7)10-6(8)12/h4H,3,9H2,1-2H3,(H4,7,8,10,12)
InChIKeyKKONXPUAYKQILM-UHFFFAOYSA-N
XLogP-0.79
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-methoxy-2-propan-2-yl-2H-1,3,5-triazine-1,4,6-triamine
CID 69879805
(E)-[amino-[amino(propyl)amino]methylidene]urea
CID 144894395
(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea;ethane
CID 144894431

Frequently Asked Questions

What is the IUPAC name of (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea?
The IUPAC name of (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea (CID 144894432) is (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea.
What is the SMILES notation for (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea?
The canonical SMILES for (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea is CC(C)CN(N)/C(N)=N/C(N)=O.
What is the InChIKey of (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea?
The InChIKey is KKONXPUAYKQILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5O/c1-4(2)3-11(9)5(7)10-6(8)12/h4H,3,9H2,1-2H3,(H4,7,8,10,12).
What are the key properties of (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea?
(E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea has a molecular weight of 173.22 g/mol, XLogP of -0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[amino-[amino(2-methylpropyl)amino]methylidene]urea is sourced from PubChem (CID 144894432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).